chempirical

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C72H58N2O8CAS 123174-58-31079.26 g/mol

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AmideEtherLactam

Properties

Molecular formula
C72H58N2O8
Molar mass
1079.26 g/mol
Exact mass
1078.4193 Da
logP
19.00Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
14

Identifiers

CAS number
123174-58-3
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=CC=C9)C1=C(C=C(C3=C41)C2=O)OC1=CC=CC=C1)OC1=CC=CC=C1)OC1=CC=CC=C1
InChIKey
ZZSIDSMUTXFKNS-UHFFFAOYSA-N
InChI
InChI=1S/C72H58N2O8/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(79-43-23-13-9-14-24-43)61-63-57(81-45-27-17-11-18-28-45)37-53-60-54(72(78)74(71(53)77)68-49(41(5)6)33-22-34-50(68)42(7)8)38-58(82-46-29-19-12-20-30-46)64(66(60)63)62-56(80-44-25-15-10-16-26-44)36-52(70(73)76)59(51)65(61)62/h9-42H,1-8H3

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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